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82756-06-7 | Ethyl 2-oxo-2-(phenethylamino)acetate
CAS No: 82756-06-7 Catalog No: AG00582L MDL No:MFCD02671784
Product Description
Catalog Number:
AG00582L
Chemical Name:
Ethyl 2-oxo-2-(phenethylamino)acetate
CAS Number:
82756-06-7
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD02671784
IUPAC Name:
ethyl 2-oxo-2-(2-phenylethylamino)acetate
InChI:
InChI=1S/C12H15NO3/c1-2-16-12(15)11(14)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChI Key:
OHNZGTYWJOYRPX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)NCCc1ccccc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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